1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid

C16H24N2O2 — CID 79564083

IUPAC1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1N(C)CCC1CCCC1(N)C(=O)O
InChIInChI=1S/C16H24N2O2/c1-12-6-3-4-8-14(12)18(2)11-9-13-7-5-10-16(13,17)15(19)20/h3-4,6,8,13H,5,7,9-11,17H2,1-2H3,(H,19,20)
InChIKeyGKMQQGPJWAULOB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds5

About 1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79564083) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79564083
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1N(C)CCC1CCCC1(N)C(=O)O
InChIInChI=1S/C16H24N2O2/c1-12-6-3-4-8-14(12)18(2)11-9-13-7-5-10-16(13,17)15(19)20/h3-4,6,8,13H,5,7,9-11,17H2,1-2H3,(H,19,20)
InChIKeyGKMQQGPJWAULOB-UHFFFAOYSA-N
XLogP2.40
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid (CID 79564083) is 1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid is Cc1ccccc1N(C)CCC1CCCC1(N)C(=O)O.
What is the InChIKey of 1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is GKMQQGPJWAULOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-3-4-8-14(12)18(2)11-9-13-7-5-10-16(13,17)15(19)20/h3-4,6,8,13H,5,7,9-11,17H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79564083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).